A fully funded PhD position is available in the group of Dr Xiaogang Liu at the Nanyang Technological University (NTU), Singapore, focusing on computational chemistry and AI for chemistry. The research will involve molecular design and photophysical mechanisms of functional organic luminophores, including fluorophores, probes, and photosensitizers.

The project integrates computational and experimental workflows to study structure–property relationships and applies data-driven approaches and machine learning for dye design and reaction prediction. The group is open, collaborative, and interdisciplinary, with expertise spanning physical chemistry, photochemistry, chemical biology, molecular design, and machine learning. The PhD programme lasts 4 years and starts in September 2026.

Funding is provided through competitive NTU Research Scholarships, which are fully funded and cover tuition and stipend. Applicants should have a strong background in chemistry, physical chemistry, materials science, or related fields, with experience in computational chemistry, coding, or machine learning considered a plus.

A strong academic record (CGPA = 80% or equivalent), research drive, teamwork, and clear communication skills are required. TOEFL/IELTS/GRE scores are needed if prior instruction was not in English. To express interest, email Dr Xiaogang Liu with your CV, transcripts and GPA, a brief statement of research interests (1 page), and any publications or code (optional). Use the subject line 'PhD Application – [Your Name] – Sept 2026'.

Only shortlisted candidates will be contacted.